2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

C26H26N6 — CID 10764715

IUPAC2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCc1ccccc1-c1nc2ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C26H26N6/c1-17-5-3-4-6-20(17)26-28-21-9-7-18(15-23(21)30-26)25-27-22-10-8-19(16-24(22)29-25)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOVIGZMABGCIOMY-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (PubChem CID 10764715) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
PubChem CID10764715
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCc1ccccc1-c1nc2ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2[nH]1
InChIInChI=1S/C26H26N6/c1-17-5-3-4-6-20(17)26-28-21-9-7-18(15-23(21)30-26)25-27-22-10-8-19(16-24(22)29-25)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOVIGZMABGCIOMY-UHFFFAOYSA-N
XLogP4.83
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (CID 10764715) is 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is Cc1ccccc1-c1nc2ccc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The InChIKey is OVIGZMABGCIOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-17-5-3-4-6-20(17)26-28-21-9-7-18(15-23(21)30-26)25-27-22-10-8-19(16-24(22)29-25)32-13-11-31(2)12-14-32/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole has a molecular weight of 422.54 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 10764715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).